Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](2-methoxyphenyl)methanone
Catalog ID
STK026464
SMILES COc1ccccc1C(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCC/C/2=C\c1ccc(cc1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H24Cl2N2O2 MW 491.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24Cl2N2O2/c1-34-25-8-3-2-6-23(25)28(33)32-27(19-11-15-22(30)16-12-19)24-7-4-5-20(26(24)31-32)17-18-9-13-21(29)14-10-18/h2-3,6,8-17,24,27H,4-5,7H2,1H3/b20-17+InChIKey
YZVVFZLSADECLG-LVZFUZTISA-NSynonyms
((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(2METHOXYPHENYL)METHANONE
((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)(2methoxyphenyl)methanone
COC1=CC=CC=C1C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)Cl)C3=N2)C5=CC=C(C=C5)Cl
COc1ccccc1C(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCCC2=Cc1ccc(cc1)Cl
InChI=1SC28H24Cl2N2O2c13425832623(25)28(33)3227(19111522(30)161219)2474520(26(24)3132)171891321(29)141018h2368172427H457H21H3b2017+
MFCD01627304
STK026464
ZINC000013940651
ZINC000013940654
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